UCSF

ZINC36750313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 6.09 -42.23 2 4 1 35 279.404 6
Mid Mid (pH 6-8) 1.94 5.01 -41.02 2 4 1 38 279.404 6
Mid Mid (pH 6-8) 1.94 7.26 -111.57 3 4 2 40 280.412 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )